Information card for entry 7039568

Structure parameters

• Formula: C12 H30 Cl2 Fe N4
• Calculated formula: C12 H30 Cl2 Fe N4
• SMILES: C1C[N]2(CC[N]3([Fe]2([N]1(C)C)(Cl)([N](CC3)(C)C)Cl)C)C
• Title of publication: The influence of the ligand chelate effect on iron-amine-catalysed Kumada cross-coupling.
• Authors of publication: Bedford, Robin B.; Brenner, Peter B.; Elorriaga, David; Harvey, Jeremy N.; Nunn, Joshua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15811 - 15817
• a: 14.884 ± 0.003 Å
• b: 7.9168 ± 0.0016 Å
• c: 14.972 ± 0.003 Å
• α: 90°
• β: 104.91 ± 0.03°
• γ: 90°
• Cell volume: 1704.8 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No